SCHEMBL7357664

SCHEMBL7357664

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N(O)C(=O)CCCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
THRB P10828 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
IL1RN P18510 1/20 0.47
ERAP2 Q6P179 1/20 0.47
BIRC2 Q13490 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7357715 0.88 NPC1 (0.49) RAB9A
SCHEMBL7360065 0.87 MMP1 (0.51)
SCHEMBL7354243 0.86 NAALAD2 (0.52)
SCHEMBL8749847 0.86 NAALAD2 (0.52)
SCHEMBL7363512 0.85 MMP3 (0.45) CYP2C9CYP2C19
SCHEMBL7357691 0.84 CTSL (0.45)
SCHEMBL7364715 0.83 L3MBTL1 (0.45)
SCHEMBL7357404 0.82 CHRNB2 (0.48)
SCHEMBL7358630 0.82 CTSL (0.43)
SCHEMBL6416552 0.79 MMP1 (0.54)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667770-B1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARM (GB) 1997-03-19 EP disclosed
EP-0667770-A1 INHIBITION OF TNF PRODUCTION. BRITISH BIOTECH PHARM (GB) 1995-08-23 EP disclosed
WO-1994010990-A1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-05-26 WO disclosed